3-(4-bromanyl-3-nitro-phenyl)propanoic acid

Systemtic Name: 3-(4-bromanyl-3-nitro-phenyl)propanoic acid Openeye Name: 3-(4-bromo-3-nitro-phenyl)propanoic acid CAS Name: 3-(4-bromo-3-nitrophenyl)propanoic acid IUPAC Name: 3-(4-bromo-3-nitrophenyl)propanoic acid Traditional Name: 3-(4-bromo-3-nitro-phenyl)propionic acid Formula: C9H8BrNO4 MolecularWeight: 274.06812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCC(=O)O)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=C(C=C1CCC(=O)O)[N+](=O)[O-])Br

InChI

InChI=1S/C9H8BrNO4/c10-7-3-1-6(2-4-9(12)13)5-8(7)11(14)15/h1,3,5H,2,4H2,(H,12,13)